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Vanillin acetate

CAS 881-68-5C10H10O4MW 194.06 g/mol

Vanillin acetate (CAS 881-68-5) — formula C10H10O4, molecular weight 194.06 g/mol.

Specifications

CAS Number881-68-5
Molecular FormulaC10H10O4
Molecular Weight194.06 g/mol
Melting Point77 - 79 °C
Boiling Point287.00 to 288.00 °C. @ 760.00 mm Hg
LogP0.8

Purchase Profile

What this product is

Vanillin acetate is a chemical compound with CAS registry number 881-68-5 and molecular formula C10H10O4 (molecular weight 194.06 g/mol).

Identification

CAS number: 881-68-5

Its molecular formula C10H10O4 comprises 10 C, 10 H, 4 O atoms.

Also known as: Vanillin acetate · acetyl vanillin

Frequently Asked Questions

What is the CAS number of Vanillin acetate?

The CAS registry number of Vanillin acetate is 881-68-5.

What is the molecular formula and molecular weight of Vanillin acetate?

Molecular formula C10H10O4, molecular weight 194.06 g/mol.

What other names is Vanillin acetate known by?

It is also registered under: Vanillin acetate, acetyl vanillin.

PubChem Public Data

Public-database records for Vanillin acetate (CAS 881-68-5), reproduced here for independent cross-checking.

Safety classification and hazard statements

GHS notification summary60.4% (90 / 149)
Reported hazard statementsH315 (39.6%), H319 (39.6%)

This chemical does not meet GHS hazard criteria for 60.4% (90 of 149) of all reports.

H315 (39.6%): Causes skin irritation [Warning Skin corrosion/irritation]

Regulatory listings

Regulatory & Food ContactEU Flavoring substances
FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT
Flavoring Agents
FLAVOURING_AGENT: Flavouring Agent
Floral
No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary60.4% (90 / 149)

Physical description and handling notes

  • Solid
  • colourless needles of plates with a mild creamy, balsamic, vanilla odour
  • slightly
  • slightly soluble in water; soluble in organic solvents, oils
  • soluble (in ethanol)

Reported physical properties

沸点287.00 to 288.00 °C. @ 760.00 mm Hg
沸点148 °C (10 mm Hg)
熔点77 - 79 °C

How this substance is indexed

CAS Registry Number881-68-5
PubChem CID61229
分子式C10H10O4
分子量194.06 g/mol
IUPAC 名称(4-formyl-2-methoxyphenyl) acetate
InChIKeyPZSJOBKRSVRODF-UHFFFAOYSA-N
UNII（FDA）873YNA60FY
ChEBI 编号CHEBI:86956
FEMA 编号3108
JECFA 编号890

Documented uses

  • Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
  • Flavoring Agents -> JECFA Flavorings Index
  • Benzaldehyde, 4-(acetyloxy)-3-methoxy-: ACTIVE

Names this substance appears under

Vanillin acetate; 4-Formyl-2-methoxyphenyl acetate; Acetylvanillin; Acetovanillin; BENZALDEHYDE, 4-(ACETYLOXY)-3-METHOXY-; vanillyl acetate; FEMA No. 3108; UNII-873YNA60FY; 873YNA60FY; Benzaldehyde, 4-acetoxy-3-methoxy; NSC-8499; EINECS 212-920-1; NSC-25863; VANILLIN ACETATE [FHFI]; DTXSID4061256; CHEBI:86956

Computed molecular descriptors

分子量194.18
XLogP30.8
氢键供体数0
氢键受体数4
可旋转键数4
精确质量194.05790880
单同位素质量194.05790880
拓扑极性表面积52.6
重原子数14
形式电荷0

Database abstract

Vanillin acetate is identified by CAS 881-68-5, molecular formula C10H10O4 and molecular weight 194.06 g/mol. UNII 873YNA60FY; ChEBI 86956; InChIKey PZSJOBKRSVRODF-UHFFFAOYSA-N. 沸点: 287.00 to 288.00 °C. @ 760.00 mm Hg; 沸点: 148 °C (10 mm Hg); 熔点: 77 - 79 °C.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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